(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

C19H22N4O4 — CID 11079170

IUPAC(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@@H](C(=O)Nc2ccccc2N)[C@H](C(=O)Nc2ccccc2N)O1
InChIInChI=1S/C19H22N4O4/c1-19(2)26-15(17(24)22-13-9-5-3-7-11(13)20)16(27-19)18(25)23-14-10-6-4-8-12(14)21/h3-10,15-16H,20-21H2,1-2H3,(H,22,24)(H,23,25)/t15-,16-/m1/s1
InChIKeyZZSTVLWVKFFXJJ-HZPDHXFCSA-N
MW370.41 g/mol
LogP1.95
Rot. Bonds4

About (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 11079170) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID11079170
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@@H](C(=O)Nc2ccccc2N)[C@H](C(=O)Nc2ccccc2N)O1
InChIInChI=1S/C19H22N4O4/c1-19(2)26-15(17(24)22-13-9-5-3-7-11(13)20)16(27-19)18(25)23-14-10-6-4-8-12(14)21/h3-10,15-16H,20-21H2,1-2H3,(H,22,24)(H,23,25)/t15-,16-/m1/s1
InChIKeyZZSTVLWVKFFXJJ-HZPDHXFCSA-N
XLogP1.95
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (CID 11079170) is (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is CC1(C)O[C@@H](C(=O)Nc2ccccc2N)[C@H](C(=O)Nc2ccccc2N)O1.
What is the InChIKey of (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is ZZSTVLWVKFFXJJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(2)26-15(17(24)22-13-9-5-3-7-11(13)20)16(27-19)18(25)23-14-10-6-4-8-12(14)21/h3-10,15-16H,20-21H2,1-2H3,(H,22,24)(H,23,25)/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-N,5-N-bis(2-aminophenyl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 11079170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).